A Multi-Ionic Continuum-Based Model for C3S Hydration

A computationally efficient strategy for modeling tricalcium silicate hydration based on through-solution-phase kinetics is demonstrated. This study extends a recently introduced advanced continuum-based single particle model by including rigorous multi-ionic transport, nonlinear reversible reaction kinetics and portlandite precipitation. Model parameters were either fixed based on known values, estimated using experimental measures or extracted by model fitting to benchmark experimental datasets. The model is now able to generate calorimetric hydration and evolution of pore solution chemistry responses that are in good agreement with available experimental results and predictions of other multiphysical modeling platforms. Once calibrated, the model was tested to see if it could predict the effect of water to cement ratio (w/c) and particle size on hydration outcomes. The findings support the need for a mechanism that limits the volume into which product can form.